Hydrophobic association and solvation of neopentane in urea, TMAO and urea–TMAO solutions

descriptionPublicationkeyboard_double_arrow_right Article 01 Nov 2021 English Publisher:Royal Society of Chemistry (RSC)Journal:Physical Chemistry Chemical Physics, volume 24, pages 6,941-6,957 (issn: 1463-9076, eissn: 1463-9084,

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Authors: Timir Hajari; Mayank Dixit; Hari O. S. Yadav;

doi: 10.1039/d1cp05321c , 10.26434/chemrxiv-2021-d4pf8

pmid: 35254354

Hydrophobic association and solvation of neopentane in urea, TMAO and urea–TMAO solutions

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Abstract

Hydrophobic associations in pure water, urea solution, TMAO solution and urea-TMAO solution were studied using molecular dynamics simulations.

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Keywords

Solutions, Methylamines, Pentanes, Urea, Water, Molecular Dynamics Simulation, Hydrophobic and Hydrophilic Interactions

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